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Tryptamine Hydrochloride
CAS: 343-94-2 | C10H13ClN2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
343-94-2
Molecular Formula:
C10H13ClN2
Molecular Mass:
196.68 g/mol
Names and Synonyms:
Tryptamine Hydrochloride
1H-Indole-3-ethanamine, hydrochloride (1:1)
Indole, 3-(2-aminoethyl)-, monohydrochloride
1H-Indole-3-ethanamine, monohydrochloride
Tryptamine hydrochloride
Tryptamine monohydrochloride
3-(2-Aminoethyl)-1H-indole monohydrochloride
3-(2-Aminoethyl)indole hydrochloride
2-(3-Indolyl)ethylamine hydrochloride
2-(1H-Indol-3-yl)ethan-1-amine hydrochloride
Identifiers:
SMILES:
Cl.NCCc1c[nH]c2ccccc12
InChI:
InChI=1S/C10H12N2.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-4,7,12H,5-6,11H2;1H
Key Properties
Melting Point
246 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.68 g/mol | CAS Common Chemistry |
| 196.681 g/mol | RDKit | |
| 196.076726096 g/mol | RDKit | |
| Canonical SMILES | Cl.NCCC1=CNC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-4,7,12H,5-6,11H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=KDFBGNBTTMPNIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 246 °C | CAS Common Chemistry |
| Name | Tryptamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 41.81 Ų | RDKit |
| LogP | 2.0909 | RDKit |
| Molar Refractivity | 58.30510000000002 | RDKit |
